| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 55.6 | Low | 69.2 | Low | 240 Ų | 240 | 171 Ų | 171 | 100% | 1.182 | 87% | 0.87 | S | S | * | * | 0 | 105.5 | 0 | -66.1 | -65.5 | -95.6 | 0 | 0 | 108.4 | A3 | M1-A3 PolarHBondContact O-N 3.33Š| |||
| 2 | G | 71.9 | Confident | 69.9 | Low | 79 Ų | 79 | 163.5 Ų | 163.5 | 81% | 0.814 | 85% | 0.845 | S | S | * | * | trans | -66.2 | 123.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K4 | G2-K4 PolarHBondContact O-N 3.45Š| ||
| 3 | A | 74.8 | Confident | 70.4 | Confident | 97 Ų | 97 | 155.8 Ų | 155.8 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | trans | -62.6 | 115.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | M1 R5 | M1-A3 PolarHBondContact O-N 3.33Å; A3-R5 PolarHBondContact O-N 3.28Å; A3-R5 VanDerWaalsContact O-N 3.09Å | ||
| 4 | K | 71.2 | Confident | 71.6 | Confident | 206 Ų | 206 | 150.1 Ų | 150.1 | 90% | 0.896 | 79% | 0.787 | S | S | * | * | trans | -62.6 | 112.6 | 173.3 | -71.4 | -179.9 | 179.5 | 175.5 | 0 | 107.9 | G2 | G2-K4 PolarHBondContact O-N 3.45Š| ||
| 5 | R | 74.8 | Confident | 72.6 | Confident | 231 Ų | 231 | 152.9 Ų | 152.9 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | -55.5 | 129.1 | 172.9 | -70.8 | -177.4 | 172.9 | 175.2 | -2.2 | 108.4 | A3 R7 | A3-R5 PolarHBondContact O-N 3.28Å; A3-R5 VanDerWaalsContact O-N 3.09Å; R5-R7 PolarHBondContact O-N 2.97Å | ||
| 6 | P | 68.7 | Low | 73.6 | Confident | 123 Ų | 123 | 147.9 Ų | 147.9 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | trans | -57.7 | 118.8 | 176 | 21.5 | -29.5 | 0 | 0 | 0 | 107.5 | G8 | P6-G8 PolarHBondContact O-N 3.26Š| ||
| 7 | R | 69.7 | Low | 74.6 | Confident | 242 Ų | 242 | 143.9 Ų | 143.9 | 91% | 0.913 | 76% | 0.758 | S | S | * | * | trans | -56.4 | 107.3 | 173.2 | -73.8 | -175 | 172.5 | -161.2 | -2.2 | 105.6 | R5 R9 | R5-R7 PolarHBondContact O-N 2.97Å; R7-R9 PolarHBondContact O-N 2.76Å | ||
| 8 | G | 67 | Low | 75.4 | Confident | 66 Ų | 66 | 143.4 Ų | 143.4 | 68% | 0.68 | 74% | 0.744 | S | S | * | * | trans | -45.5 | 116.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | P6 R10 | P6-G8 PolarHBondContact O-N 3.26Å; G8-R10 VanDerWaalsContact C-N 3.28Å; G8-R10 PolarHBondContact O-N 2.83Å | ||
| 9 | R | 67.2 | Low | 76.4 | Confident | 246 Ų | 246 | 144.7 Ų | 144.7 | 93% | 0.928 | 74% | 0.743 | S | S | * | * | trans | -56.9 | 102.7 | 177.1 | -134.6 | -177.2 | -173.8 | -163.7 | 2.7 | 103.8 | R7 S11 | R7-R9 PolarHBondContact O-N 2.76Å; R9-S11 PolarHBondContact O-N 3.11Å | ||
| 10 | R | 69.3 | Low | 77.2 | Confident | 238 Ų | 238 | 146.4 Ų | 146.4 | 90% | 0.898 | 74% | 0.74 | S | S | * | * | trans | -52.9 | 114.9 | 175.1 | -72.4 | -177.1 | 176.6 | -177.3 | -1.8 | 103.9 | G8 S12 | G8-R10 VanDerWaalsContact C-N 3.28Å; G8-R10 PolarHBondContact O-N 2.83Å; R10-S12 PolarHBondContact O-N 2.7Å | ||
| 11 | S | 70.5 | Confident | 78 | Confident | 113 Ų | 113 | 143.1 Ų | 143.1 | 79% | 0.79 | 72% | 0.724 | S | S | * | * | trans | -61.1 | 93.8 | 176.4 | 49 | 0 | 0 | 0 | 0 | 105.4 | R9 V13 | R9-S11 PolarHBondContact O-N 3.11Å; S11-V13 VanDerWaalsContact C-N 3.34Å; S11-V13 PolarHBondContact O-N 3.33Å | ||
| 12 | S | 77.5 | Confident | 79.9 | Confident | 81 Ų | 81 | 137.8 Ų | 137.8 | 57% | 0.566 | 69% | 0.694 | S | S | * | * | trans | -71.4 | 102.7 | -178.2 | 166.1 | 0 | 0 | 0 | 0 | 105 | R10 R18 | R10-S12 PolarHBondContact O-N 2.7Å; S12-R18 PolarHBondContact OG-NH2 2.86Å | ||
| 13 | V | 77.6 | Confident | 81 | Confident | 63 Ų | 63 | 136.6 Ų | 136.6 | 38% | 0.382 | 68% | 0.677 | S | S | . | * | trans | -46.7 | 126.5 | 169.3 | 178.5 | 0 | 0 | 0 | 0 | 107.5 | S11 N17 R18 | S11-V13 VanDerWaalsContact C-N 3.34Å; S11-V13 PolarHBondContact O-N 3.33Å; V13-N17 HydrophobicContact CG1-CB 3.43Å; V13-N17 VanDerWaalsContact CG1-CB 3.43Å; V13-R18 HydrophobicContact CB-CG 3.92Å; V13-R18 HydrophobicContact CG1-CG 3.81Å; V13-R18 PolarHBondContact O-NE 2.97Å | ||
| 14 | P | 86.1 | Confident | 82.1 | Confident | 76 Ų | 76 | 137.4 Ų | 137.4 | 49% | 0.494 | 67% | 0.666 | S | S | . | * | trans | -51.7 | 144.5 | 179.4 | -28.5 | 34.6 | 0 | 0 | 0 | 111.2 | A16 N17 R18 | P14-A16 PolarHBondContact O-N 3.39Å; P14-A16 VanDerWaalsContact O-N 3.11Å; P14-N17 PolarHBondContact O-N 2.94Å; P14-R18 PolarHBondContact O-N 2.93Å | ||
| 15 | K | 86.9 | Confident | 83.3 | Confident | 193 Ų | 193 | 132.3 Ų | 132.3 | 84% | 0.839 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -51.6 | -39.1 | -178.1 | -71 | -176.4 | 177.7 | 179.4 | 0 | 112.4 | R18 K19 | K15-R18 PolarHBondContact O-N 3.03Å; K15-K19 PolarHBondContact O-N 3.08Å |
| 16 | A | 88.6 | Confident | 84.3 | Confident | 72 Ų | 72 | 126.1 Ų | 126.1 | 60% | 0.595 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -60.7 | -46.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P14 R18 K19 R20 | P14-A16 PolarHBondContact O-N 3.39Å; P14-A16 VanDerWaalsContact O-N 3.11Å; A16-R18 VanDerWaalsContact C-N 3.35Å; A16-R18 PolarHBondContact O-N 3.44Å; A16-K19 PolarHBondContact O-N 2.91Å; A16-R20 PolarHBondContact O-N 2.78Å |
| 17 | N | 90.9 | Very high | 85.6 | Confident | 81 Ų | 81 | 129.2 Ų | 129.2 | 43% | 0.433 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.9 | -37.6 | 177.2 | -73.5 | -3.4 | 0 | 0 | 0 | 111.6 | V13 P14 K19 R20 N21 | V13-N17 HydrophobicContact CG1-CB 3.43Å; V13-N17 VanDerWaalsContact CG1-CB 3.43Å; P14-N17 PolarHBondContact O-N 2.94Å; N17-K19 VanDerWaalsContact C-N 3.34Å; N17-K19 PolarHBondContact O-N 3.43Å; N17-R20 PolarHBondContact O-N 2.71Å; N17-N21 WeakPolarHBondContact O-CB 3.34Å; N17-N21 PolarHBondContact O-N 3.02Å; N17-N21 PolarHBondContact O-OD1 2.92Å |
| 18 | R | 89.5 | Confident | 86.8 | Confident | 135 Ų | 135 | 120.3 Ų | 120.3 | 51% | 0.509 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -60.8 | -43 | 173.8 | -62.6 | -174.5 | -166.9 | -168.5 | 0 | 111.8 | S12 V13 P14 K15 A16 K22 | S12-R18 PolarHBondContact OG-NH2 2.86Å; V13-R18 HydrophobicContact CB-CG 3.92Å; V13-R18 HydrophobicContact CG1-CG 3.81Å; V13-R18 PolarHBondContact O-NE 2.97Å; P14-R18 PolarHBondContact O-N 2.93Å; K15-R18 PolarHBondContact O-N 3.03Å; A16-R18 VanDerWaalsContact C-N 3.35Å; A16-R18 PolarHBondContact O-N 3.44Å; R18-K22 VanDerWaalsContact O-CB 3.24Å; R18-K22 WeakPolarHBondContact O-CB 3.31Å; R18-K22 PolarHBondContact O-N 3.37Å |
| 19 | K | 92.8 | Very high | 88.2 | Confident | 168 Ų | 168 | 121.4 Ų | 121.4 | 73% | 0.73 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.1 | -45.5 | 177.7 | -171.7 | 178.7 | 179.7 | -178.1 | 0 | 111.4 | K15 A16 N17 K22 A23 | K15-K19 PolarHBondContact O-N 3.08Å; A16-K19 PolarHBondContact O-N 2.91Å; N17-K19 VanDerWaalsContact C-N 3.34Å; N17-K19 PolarHBondContact O-N 3.43Å; K19-K22 PolarHBondContact O-N 3.36Å; K19-A23 PolarHBondContact O-N 3.33Å |
| 20 | R | 94 | Very high | 89.5 | Confident | 177 Ų | 177 | 112.6 Ų | 112.6 | 67% | 0.668 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.4 | -47.5 | 176.8 | -176.3 | 178.4 | 177.8 | 166.7 | -0.2 | 112.1 | A16 N17 A23 M24 | A16-R20 PolarHBondContact O-N 2.78Å; N17-R20 PolarHBondContact O-N 2.71Å; R20-A23 PolarHBondContact O-N 2.76Å; R20-M24 PolarHBondContact O-N 3.3Å |
| 21 | N | 93.8 | Very high | 90.7 | Very high | 78 Ų | 78 | 105.4 Ų | 105.4 | 42% | 0.417 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 179.7 | -69.2 | 2.8 | 0 | 0 | 0 | 111.2 | N17 M24 I25 | N17-N21 WeakPolarHBondContact O-CB 3.34Å; N17-N21 PolarHBondContact O-N 3.02Å; N17-N21 PolarHBondContact O-OD1 2.92Å; N21-M24 PolarHBondContact O-N 2.99Å; N21-I25 VanDerWaalsContact O-CG1 3.25Å; N21-I25 WeakPolarHBondContact O-CG1 3.42Å; N21-I25 PolarHBondContact O-N 3.21Å |
| 22 | K | 95.6 | Very high | 91.8 | Very high | 128 Ų | 128 | 105.5 Ų | 105.5 | 56% | 0.557 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -57.6 | -50 | 174.6 | 179.1 | 175.8 | 171.1 | 178.3 | 0 | 111.4 | R18 K19 M24 I25 E26 | R18-K22 VanDerWaalsContact O-CB 3.24Å; R18-K22 WeakPolarHBondContact O-CB 3.31Å; R18-K22 PolarHBondContact O-N 3.37Å; K19-K22 PolarHBondContact O-N 3.36Å; K22-M24 VanDerWaalsContact C-N 3.3Å; K22-M24 PolarHBondContact O-N 2.94Å; K22-I25 PolarHBondContact O-N 3.09Å; K22-E26 WeakPolarHBondContact CE-OE1 3.44Å; K22-E26 HydrophobicContact CG-CG 4.39Å; K22-E26 IonicContact NZ-OE1 3.67Å; K22-E26 WeakPolarHBondContact O-CB 3.46Å; K22-E26 WeakPolarHBondContact O-CG 3.48Å; K22-E26 PolarHBondContact O-N 2.87Å |
| 23 | A | 95.3 | Very high | 92.4 | Very high | 54 Ų | 54 | 106.4 Ų | 106.4 | 45% | 0.446 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.2 | -36.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | K19 R20 R27 | K19-A23 PolarHBondContact O-N 3.33Å; R20-A23 PolarHBondContact O-N 2.76Å; A23-R27 WeakPolarHBondContact O-CB 2.76Å; A23-R27 PolarHBondContact O-N 3.1Å |
| 24 | M | 96.8 | Very high | 93 | Very high | 115 Ų | 115 | 107.5 Ų | 107.5 | 57% | 0.567 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.4 | -45.5 | 175.1 | -174.2 | -176.6 | -65.1 | 0 | 0 | 111.7 | R20 N21 K22 R27 S28 | R20-M24 PolarHBondContact O-N 3.3Å; N21-M24 PolarHBondContact O-N 2.99Å; K22-M24 VanDerWaalsContact C-N 3.3Å; K22-M24 PolarHBondContact O-N 2.94Å; M24-R27 PolarHBondContact O-N 2.92Å; M24-S28 PolarHBondContact O-N 3.43Å; M24-S28 PolarHBondContact O-OG 3.42Å |
| 25 | I | 96 | Very high | 93.2 | Very high | 98 Ų | 98 | 110.2 Ų | 110.2 | 50% | 0.503 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.4 | -47.7 | 177.4 | -68.4 | 164.7 | 0 | 0 | 0 | 110.2 | N21 K22 R27 S28 L29 | N21-I25 VanDerWaalsContact O-CG1 3.25Å; N21-I25 WeakPolarHBondContact O-CG1 3.42Å; N21-I25 PolarHBondContact O-N 3.21Å; K22-I25 PolarHBondContact O-N 3.09Å; I25-R27 VanDerWaalsContact C-N 3.32Å; I25-R27 PolarHBondContact O-N 3.36Å; I25-S28 WeakPolarHBondContact CA-OG 3.34Å; I25-S28 PolarHBondContact O-N 3.08Å; I25-S28 VanDerWaalsContact O-N 3.15Å; I25-S28 PolarHBondContact O-OG 3.47Å; I25-L29 HydrophobicContact CG2-CD1 3.94Å; I25-L29 HydrophobicContact CG2-CG 4.38Å; I25-L29 WeakPolarHBondContact O-CG 3.36Å; I25-L29 PolarHBondContact O-N 3.05Å |
| 26 | E | 96.6 | Very high | 93.3 | Very high | 102 Ų | 102 | 103.8 Ų | 103.8 | 48% | 0.477 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.9 | -42.2 | 177.7 | -73.9 | 171.4 | 163.4 | 0 | 0 | 111.9 | K22 L29 S30 | K22-E26 WeakPolarHBondContact CE-OE1 3.44Å; K22-E26 HydrophobicContact CG-CG 4.39Å; K22-E26 IonicContact NZ-OE1 3.67Å; K22-E26 WeakPolarHBondContact O-CB 3.46Å; K22-E26 WeakPolarHBondContact O-CG 3.48Å; K22-E26 PolarHBondContact O-N 2.87Å; E26-L29 PolarHBondContact O-N 3.38Å; E26-S30 WeakPolarHBondContact O-CB 3.42Å; E26-S30 PolarHBondContact O-N 2.89Å |
| 27 | R | 96.1 | Very high | 93.4 | Very high | 188 Ų | 188 | 105.1 Ų | 105.1 | 71% | 0.709 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.8 | -45.4 | 174.5 | -173.2 | 179.9 | -180 | -160.2 | -0.2 | 111.9 | A23 M24 I25 L29 S30 L31 | A23-R27 WeakPolarHBondContact O-CB 2.76Å; A23-R27 PolarHBondContact O-N 3.1Å; M24-R27 PolarHBondContact O-N 2.92Å; I25-R27 VanDerWaalsContact C-N 3.32Å; I25-R27 PolarHBondContact O-N 3.36Å; R27-L29 VanDerWaalsContact C-N 3.34Å; R27-L29 PolarHBondContact O-N 3.43Å; R27-S30 PolarHBondContact O-N 3.38Å; R27-L31 WeakPolarHBondContact O-CG 3.5Å; R27-L31 PolarHBondContact O-N 3.27Å |
| 28 | S | 95.6 | Very high | 93.2 | Very high | 54 Ų | 54 | 104.5 Ų | 104.5 | 38% | 0.378 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 178.2 | 59.6 | 0 | 0 | 0 | 0 | 112.6 | M24 I25 L31 L32 | M24-S28 PolarHBondContact O-N 3.43Å; M24-S28 PolarHBondContact O-OG 3.42Å; I25-S28 WeakPolarHBondContact CA-OG 3.34Å; I25-S28 PolarHBondContact O-N 3.08Å; I25-S28 VanDerWaalsContact O-N 3.15Å; I25-S28 PolarHBondContact O-OG 3.47Å; S28-L31 PolarHBondContact O-N 3.39Å; S28-L32 WeakPolarHBondContact O-CG 3.49Å; S28-L32 PolarHBondContact O-N 3.26Å |
| 29 | L | 96.1 | Very high | 93.2 | Very high | 90 Ų | 90 | 104.1 Ų | 104.1 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.2 | -41 | 176 | -74.2 | 173.1 | 0 | 0 | 0 | 111.7 | I25 E26 R27 L31 L32 N33 | I25-L29 HydrophobicContact CG2-CD1 3.94Å; I25-L29 HydrophobicContact CG2-CG 4.38Å; I25-L29 WeakPolarHBondContact O-CG 3.36Å; I25-L29 PolarHBondContact O-N 3.05Å; E26-L29 PolarHBondContact O-N 3.38Å; R27-L29 VanDerWaalsContact C-N 3.34Å; R27-L29 PolarHBondContact O-N 3.43Å; L29-L31 VanDerWaalsContact C-N 3.34Å; L29-L31 PolarHBondContact O-N 3.37Å; L29-L32 PolarHBondContact O-N 3.32Å; L29-N33 WeakPolarHBondContact O-CB 3.45Å; L29-N33 PolarHBondContact O-N 3.05Å; L29-N33 PolarHBondContact O-ND2 2.91Å |
| 30 | S | 94.7 | Very high | 93.1 | Very high | 61 Ų | 61 | 104.8 Ų | 104.8 | 43% | 0.427 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 175.3 | 177 | 0 | 0 | 0 | 0 | 111.8 | E26 R27 N33 N34 | E26-S30 WeakPolarHBondContact O-CB 3.42Å; E26-S30 PolarHBondContact O-N 2.89Å; R27-S30 PolarHBondContact O-N 3.38Å; S30-N33 PolarHBondContact O-N 3.35Å; S30-N34 WeakPolarHBondContact O-CB 3.41Å; S30-N34 PolarHBondContact O-N 3.46Å; S30-N34 PolarHBondContact O-ND2 2.85Å |
| 31 | L | 92.9 | Very high | 92.9 | Very high | 87 Ų | 87 | 101.3 Ų | 101.3 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.6 | -47.7 | 175.8 | -69.5 | 172.2 | 0 | 0 | 0 | 111.6 | R27 S28 L29 N33 N34 H35 | R27-L31 WeakPolarHBondContact O-CG 3.5Å; R27-L31 PolarHBondContact O-N 3.27Å; S28-L31 PolarHBondContact O-N 3.39Å; L29-L31 VanDerWaalsContact C-N 3.34Å; L29-L31 PolarHBondContact O-N 3.37Å; L31-N33 PolarHBondContact O-N 2.94Å; L31-N34 PolarHBondContact O-N 3.45Å; L31-H35 PolarHBondContact O-CD2 3.47Å; L31-H35 PolarHBondContact O-N 3.27Å |
| 32 | L | 94 | Very high | 92.7 | Very high | 114 Ų | 114 | 102.7 Ų | 102.7 | 60% | 0.597 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.5 | -43.9 | 178.3 | -74.4 | 169.3 | 0 | 0 | 0 | 112.3 | S28 L29 H35 A36 | S28-L32 WeakPolarHBondContact O-CG 3.49Å; S28-L32 PolarHBondContact O-N 3.26Å; L29-L32 PolarHBondContact O-N 3.32Å; L32-H35 PolarHBondContact O-N 3.46Å; L32-A36 WeakPolarHBondContact O-CB 3.48Å; L32-A36 PolarHBondContact O-N 2.9Å |
| 33 | N | 91.4 | Very high | 92.3 | Very high | 101 Ų | 101 | 101 Ų | 101 | 54% | 0.54 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65 | -40.3 | 177.6 | -75.6 | -18.4 | 0 | 0 | 0 | 111.8 | L29 S30 L31 A36 L37 | L29-N33 WeakPolarHBondContact O-CB 3.45Å; L29-N33 PolarHBondContact O-N 3.05Å; L29-N33 PolarHBondContact O-ND2 2.91Å; S30-N33 PolarHBondContact O-N 3.35Å; L31-N33 PolarHBondContact O-N 2.94Å; N33-A36 PolarHBondContact O-N 3.33Å; N33-L37 WeakPolarHBondContact O-CG 3.43Å; N33-L37 PolarHBondContact O-N 3Å |
| 34 | N | 89.4 | Confident | 92 | Very high | 86 Ų | 86 | 103.9 Ų | 103.9 | 46% | 0.46 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 175.6 | -70.9 | -15.6 | 0 | 0 | 0 | 111.1 | S30 L31 A36 L37 T38 | S30-N34 WeakPolarHBondContact O-CB 3.41Å; S30-N34 PolarHBondContact O-N 3.46Å; S30-N34 PolarHBondContact O-ND2 2.85Å; L31-N34 PolarHBondContact O-N 3.45Å; N34-A36 PolarHBondContact O-N 3.04Å; N34-L37 PolarHBondContact O-N 3.31Å; N34-T38 PolarHBondContact O-N 3.4Å; N34-T38 PolarHBondContact O-OG1 3.37Å; N34-T38 VanDerWaalsContact O-OG1 3.09Å |
| 35 | H | 90.2 | Very high | 91.4 | Very high | 132 Ų | 132 | 101 Ų | 101 | 61% | 0.611 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.6 | -41.8 | 176.9 | -77 | -65.7 | 0 | 0 | 0 | 112.6 | L31 L32 L37 T38 F39 | L31-H35 PolarHBondContact O-CD2 3.47Å; L31-H35 PolarHBondContact O-N 3.27Å; L32-H35 PolarHBondContact O-N 3.46Å; H35-L37 VanDerWaalsContact C-N 3.32Å; H35-L37 PolarHBondContact O-N 3.34Å; H35-T38 PolarHBondContact O-N 3.12Å; H35-F39 VanDerWaalsContact O-CB 3.3Å; H35-F39 WeakPolarHBondContact O-CB 3.4Å; H35-F39 PolarHBondContact O-N 3.03Å |
| 36 | A | 89.8 | Confident | 90.6 | Very high | 59 Ų | 59 | 102.2 Ų | 102.2 | 49% | 0.488 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L32 N33 N34 R40 | L32-A36 WeakPolarHBondContact O-CB 3.48Å; L32-A36 PolarHBondContact O-N 2.9Å; N33-A36 PolarHBondContact O-N 3.33Å; N34-A36 PolarHBondContact O-N 3.04Å; A36-R40 WeakPolarHBondContact O-CB 3.27Å; A36-R40 PolarHBondContact O-N 3.43Å |
| 37 | L | 89 | Confident | 89.7 | Confident | 99 Ų | 99 | 100.3 Ų | 100.3 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.3 | -45.6 | 175.4 | -71.4 | 173.6 | 0 | 0 | 0 | 111.8 | N33 N34 H35 R40 N41 | N33-L37 WeakPolarHBondContact O-CG 3.43Å; N33-L37 PolarHBondContact O-N 3Å; N34-L37 PolarHBondContact O-N 3.31Å; H35-L37 VanDerWaalsContact C-N 3.32Å; H35-L37 PolarHBondContact O-N 3.34Å; L37-R40 PolarHBondContact O-N 2.94Å; L37-N41 WeakPolarHBondContact O-CB 3.34Å; L37-N41 PolarHBondContact O-N 2.91Å; L37-N41 PolarHBondContact O-ND2 3Å |
| 38 | T | 88.7 | Confident | 88.7 | Confident | 69 Ų | 69 | 96 Ų | 96 | 42% | 0.423 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.4 | -49.4 | 176.5 | -59.5 | 0 | 0 | 0 | 0 | 111 | N34 H35 R40 N41 E42 | N34-T38 PolarHBondContact O-N 3.4Å; N34-T38 PolarHBondContact O-OG1 3.37Å; N34-T38 VanDerWaalsContact O-OG1 3.09Å; H35-T38 PolarHBondContact O-N 3.12Å; T38-R40 VanDerWaalsContact C-N 3.33Å; T38-R40 PolarHBondContact O-N 3Å; T38-N41 PolarHBondContact O-N 3.49Å; T38-N41 VanDerWaalsContact O-N 3.1Å; T38-E42 HydrophobicContact CG2-CG 4.42Å; T38-E42 WeakPolarHBondContact CG2-OE1 3.41Å; T38-E42 WeakPolarHBondContact O-CG 3.4Å; T38-E42 PolarHBondContact O-N 3.33Å |
| 39 | F | 88.6 | Confident | 87.2 | Confident | 126 Ų | 126 | 96.7 Ų | 96.7 | 55% | 0.553 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.3 | -43.5 | 177.6 | 178.7 | -107.5 | 0 | 0 | 0 | 112.2 | H35 N41 E42 L43 | H35-F39 VanDerWaalsContact O-CB 3.3Å; H35-F39 WeakPolarHBondContact O-CB 3.4Å; H35-F39 PolarHBondContact O-N 3.03Å; F39-N41 VanDerWaalsContact C-N 3.34Å; F39-N41 PolarHBondContact O-N 3.27Å; F39-E42 PolarHBondContact O-N 3.45Å; F39-L43 HydrophobicContact CD1-CD1 3.92Å; F39-L43 HydrophobicContact CD1-CG 4.5Å; F39-L43 HydrophobicContact CE1-CD1 3.35Å; F39-L43 HydrophobicContact CE1-CG 4.13Å; F39-L43 HydrophobicContact CE2-CD1 4.34Å; F39-L43 HydrophobicContact CE2-CG 4.29Å; F39-L43 HydrophobicContact CZ-CD1 3.6Å; F39-L43 HydrophobicContact CZ-CD2 4.32Å; F39-L43 HydrophobicContact CZ-CG 4.02Å; F39-L43 WeakPolarHBondContact O-CB 3.43Å; F39-L43 WeakPolarHBondContact O-CG 3.3Å; F39-L43 PolarHBondContact O-N 3.05Å |
| 40 | R | 90.3 | Very high | 85.4 | Confident | 183 Ų | 183 | 97.8 Ų | 97.8 | 69% | 0.691 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.8 | -39.5 | 176.3 | -176.2 | 177.1 | 178.9 | 170.1 | 0.5 | 112.3 | A36 L37 T38 K44 | A36-R40 WeakPolarHBondContact O-CB 3.27Å; A36-R40 PolarHBondContact O-N 3.43Å; L37-R40 PolarHBondContact O-N 2.94Å; T38-R40 VanDerWaalsContact C-N 3.33Å; T38-R40 PolarHBondContact O-N 3Å; R40-K44 WeakPolarHBondContact O-CB 3.32Å; R40-K44 PolarHBondContact O-N 3.49Å |
| 41 | N | 90.8 | Very high | 83.6 | Confident | 103 Ų | 103 | 102.9 Ų | 102.9 | 55% | 0.551 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.8 | -40.8 | 178.5 | -70 | -18.5 | 0 | 0 | 0 | 111.5 | L37 T38 F39 K44 A45 | L37-N41 WeakPolarHBondContact O-CB 3.34Å; L37-N41 PolarHBondContact O-N 2.91Å; L37-N41 PolarHBondContact O-ND2 3Å; T38-N41 PolarHBondContact O-N 3.49Å; T38-N41 VanDerWaalsContact O-N 3.1Å; F39-N41 VanDerWaalsContact C-N 3.34Å; F39-N41 PolarHBondContact O-N 3.27Å; N41-K44 PolarHBondContact O-N 2.97Å; N41-A45 WeakPolarHBondContact O-CB 3.32Å; N41-A45 PolarHBondContact O-N 3.41Å |
| 42 | E | 89.3 | Confident | 81.8 | Confident | 107 Ų | 107 | 107.2 Ų | 107.2 | 50% | 0.5 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 174.3 | -73.3 | 172.7 | -176 | 0 | 0 | 111.1 | T38 F39 K44 A45 H46 | T38-E42 HydrophobicContact CG2-CG 4.42Å; T38-E42 WeakPolarHBondContact CG2-OE1 3.41Å; T38-E42 WeakPolarHBondContact O-CG 3.4Å; T38-E42 PolarHBondContact O-N 3.33Å; F39-E42 PolarHBondContact O-N 3.45Å; E42-K44 VanDerWaalsContact C-N 3.3Å; E42-K44 PolarHBondContact O-N 3.24Å; E42-A45 PolarHBondContact O-N 3.49Å; E42-H46 PolarHBondContact O-CD2 2.9Å; E42-H46 PolarHBondContact O-N 3.16Å |
| 43 | L | 87.3 | Confident | 79.9 | Confident | 93 Ų | 93 | 108.5 Ų | 108.5 | 49% | 0.487 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -57.8 | -42.4 | 174 | -77.6 | -179.7 | 0 | 0 | 0 | 112.3 | F39 H46 S47 | F39-L43 HydrophobicContact CD1-CD1 3.92Å; F39-L43 HydrophobicContact CD1-CG 4.5Å; F39-L43 HydrophobicContact CE1-CD1 3.35Å; F39-L43 HydrophobicContact CE1-CG 4.13Å; F39-L43 HydrophobicContact CE2-CD1 4.34Å; F39-L43 HydrophobicContact CE2-CG 4.29Å; F39-L43 HydrophobicContact CZ-CD1 3.6Å; F39-L43 HydrophobicContact CZ-CD2 4.32Å; F39-L43 HydrophobicContact CZ-CG 4.02Å; F39-L43 WeakPolarHBondContact O-CB 3.43Å; F39-L43 WeakPolarHBondContact O-CG 3.3Å; F39-L43 PolarHBondContact O-N 3.05Å; L43-H46 PolarHBondContact O-N 3.04Å; L43-S47 WeakPolarHBondContact O-CB 3.25Å; L43-S47 PolarHBondContact O-N 2.83Å |
| 44 | K | 88.5 | Confident | 78 | Confident | 115 Ų | 115 | 112 Ų | 112 | 50% | 0.5 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.1 | -46.3 | 176.7 | -173.4 | 179.6 | 171.2 | -174.3 | 0 | 111.1 | R40 N41 E42 H46 S47 E48 | R40-K44 WeakPolarHBondContact O-CB 3.32Å; R40-K44 PolarHBondContact O-N 3.49Å; N41-K44 PolarHBondContact O-N 2.97Å; E42-K44 VanDerWaalsContact C-N 3.3Å; E42-K44 PolarHBondContact O-N 3.24Å; K44-H46 VanDerWaalsContact C-N 3.31Å; K44-H46 PolarHBondContact O-N 3.46Å; K44-S47 WeakPolarHBondContact CA-OG 3.44Å; K44-S47 PolarHBondContact O-N 3.27Å; K44-S47 PolarHBondContact O-OG 2.74Å; K44-E48 VanDerWaalsContact CE-CD 3.42Å; K44-E48 WeakPolarHBondContact CE-OE1 3.38Å; K44-E48 HydrophobicContact CG-CG 4.4Å; K44-E48 IonicContact NZ-OE1 3.59Å; K44-E48 WeakPolarHBondContact O-CG 3.42Å; K44-E48 PolarHBondContact O-N 3.11Å |
| 45 | A | 84.1 | Confident | 76 | Confident | 55 Ų | 55 | 115.2 Ų | 115.2 | 46% | 0.455 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -59.4 | -40.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N41 E42 E48 S49 | N41-A45 WeakPolarHBondContact O-CB 3.32Å; N41-A45 PolarHBondContact O-N 3.41Å; E42-A45 PolarHBondContact O-N 3.49Å; A45-E48 PolarHBondContact O-N 3.13Å; A45-S49 WeakPolarHBondContact O-CB 3.5Å; A45-S49 PolarHBondContact O-N 3.36Å; A45-S49 PolarHBondContact O-OG 3.25Å |
| 46 | H | 78.8 | Confident | 73.8 | Confident | 123 Ų | 123 | 114 Ų | 114 | 57% | 0.569 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.3 | -34.5 | 172.9 | -76.6 | -64.6 | 0 | 0 | 0 | 113 | E42 L43 K44 S49 N50 | E42-H46 PolarHBondContact O-CD2 2.9Å; E42-H46 PolarHBondContact O-N 3.16Å; L43-H46 PolarHBondContact O-N 3.04Å; K44-H46 VanDerWaalsContact C-N 3.31Å; K44-H46 PolarHBondContact O-N 3.46Å; H46-S49 WeakPolarHBondContact CA-OG 3.44Å; H46-S49 PolarHBondContact O-OG 3.03Å; H46-N50 PolarHBondContact O-ND2 2.7Å |
| 47 | S | 78.7 | Confident | 71.7 | Confident | 61 Ų | 61 | 119.7 Ų | 119.7 | 43% | 0.427 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -74.3 | -27.8 | 177.2 | 75.1 | 0 | 0 | 0 | 0 | 113.7 | L43 K44 | L43-S47 WeakPolarHBondContact O-CB 3.25Å; L43-S47 PolarHBondContact O-N 2.83Å; K44-S47 WeakPolarHBondContact CA-OG 3.44Å; K44-S47 PolarHBondContact O-N 3.27Å; K44-S47 PolarHBondContact O-OG 2.74Å |
| 48 | E | 74.6 | Confident | 69.6 | Low | 98 Ų | 98 | 123.3 Ų | 123.3 | 46% | 0.458 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -88.8 | -40.9 | -178.9 | -71 | 177.9 | 164.7 | 0 | 0 | 111.8 | K44 A45 N50 K51 | K44-E48 VanDerWaalsContact CE-CD 3.42Å; K44-E48 WeakPolarHBondContact CE-OE1 3.38Å; K44-E48 HydrophobicContact CG-CG 4.4Å; K44-E48 IonicContact NZ-OE1 3.59Å; K44-E48 WeakPolarHBondContact O-CG 3.42Å; K44-E48 PolarHBondContact O-N 3.11Å; A45-E48 PolarHBondContact O-N 3.13Å; E48-N50 PolarHBondContact O-N 3.33Å; E48-K51 WeakPolarHBondContact O-CB 3.49Å; E48-K51 PolarHBondContact O-N 3.37Å |
| 49 | S | 64.1 | Low | 67.3 | Low | 69 Ų | 69 | 123.3 Ų | 123.3 | 48% | 0.483 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -59.1 | -32.8 | 174.4 | 49.1 | 0 | 0 | 0 | 0 | 113 | A45 H46 K51 | A45-S49 WeakPolarHBondContact O-CB 3.5Å; A45-S49 PolarHBondContact O-N 3.36Å; A45-S49 PolarHBondContact O-OG 3.25Å; H46-S49 WeakPolarHBondContact CA-OG 3.44Å; H46-S49 PolarHBondContact O-OG 3.03Å; S49-K51 PolarHBondContact O-N 2.96Å |
| 50 | N | 58 | Low | 65.3 | Low | 112 Ų | 112 | 123.6 Ų | 123.6 | 60% | 0.599 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -71.9 | -9.4 | 175.6 | -80.2 | -48.1 | 0 | 0 | 0 | 114.5 | H46 E48 | H46-N50 PolarHBondContact O-ND2 2.7Å; E48-N50 PolarHBondContact O-N 3.33Å |
| 51 | K | 57.8 | Low | 63.2 | Low | 169 Ų | 169 | 121.6 Ų | 121.6 | 74% | 0.735 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -89.5 | -19.4 | -179.8 | -68.6 | -177.5 | -177.8 | -179 | 0 | 113.9 | E48 S49 | E48-K51 WeakPolarHBondContact O-CB 3.49Å; E48-K51 PolarHBondContact O-N 3.37Å; S49-K51 PolarHBondContact O-N 2.96Å |
| 52 | E | 54.9 | Low | 61 | Low | 178 Ų | 178 | 122 Ų | 122 | 83% | 0.832 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -90.6 | -20.6 | -177.3 | -63.7 | -160 | 160.7 | 0 | 0 | 113.6 | ||
| 53 | D | 54.3 | Low | 59.1 | Low | 141 Ų | 141 | 121.7 Ų | 121.7 | 75% | 0.754 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -107 | 18 | -174.3 | -79 | -24.9 | 0 | 0 | 0 | 116.1 | ||
| 54 | K | 51.2 | Low | 57.1 | Low | 173 Ų | 173 | 123.8 Ų | 123.8 | 75% | 0.752 | 66% | 0.659 | S | S | * | * | trans | -120.4 | 83.9 | 169.1 | -67.3 | -168.4 | -177.6 | -175.5 | 0 | 112.5 | ||||
| 55 | I | 47.8 | Very low | 55 | Low | 155 Ų | 155 | 125.5 Ų | 125.5 | 80% | 0.795 | 67% | 0.669 | S | S | * | * | trans | -6.5 | 133.8 | 132.7 | -58.8 | 169.2 | 0 | 0 | 0 | 112.7 | Y57 | I55-Y57 PolarHBondContact O-N 3.37Š| ||
| 56 | P | 43.6 | Very low | 52.8 | Low | 107 Ų | 107 | 131 Ų | 131 | 70% | 0.695 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -64.8 | 131 | -164 | 25.7 | -34.8 | 0 | 0 | 0 | 114.1 | L58 | P56-L58 PolarHBondContact O-N 3.15Š|
| 57 | Y | 45.8 | Very low | 51 | Low | 178 Ų | 178 | 130.1 Ų | 130.1 | 70% | 0.698 | 69% | 0.688 | S | S | * | * | trans | 39.2 | 73 | 134.8 | -149.2 | -98.9 | 0 | 0 | 0 | 116.6 | I55 E61 | I55-Y57 PolarHBondContact O-N 3.37Å; Y57-E61 PolarHBondContact OH-OE1 3Å | ||
| 58 | L | 45.3 | Very low | 49.3 | Very low | 175 Ų | 175 | 135.7 Ų | 135.7 | 92% | 0.916 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -118.1 | 94.8 | 154.8 | -79.4 | 167.2 | 0 | 0 | 0 | 108.3 | P56 | P56-L58 PolarHBondContact O-N 3.15Š|
| 59 | G | 39.7 | Very low | 47.5 | Very low | 69 Ų | 69 | 135.2 Ų | 135.2 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 73.8 | 60.7 | 152.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 60 | L | 45.7 | Very low | 46.4 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 69% | 0.686 | 73% | 0.733 | S | S | * | * | trans | -127 | 25.6 | 167.2 | -113.5 | 147 | 0 | 0 | 0 | 112.8 | C63 | L60-C63 HydrophobicContact CD2-CB 4.03Å; L60-C63 WeakPolarHBondContact CD2-SG 3.45Å | ||
| 61 | E | 46.5 | Very low | 45.5 | Very low | 142 Ų | 142 | 142.7 Ų | 142.7 | 66% | 0.664 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 131.3 | 143.1 | -70.4 | 175 | -166.2 | 0 | 0 | 105.7 | Y57 | Y57-E61 PolarHBondContact OH-OE1 3Š|
| 62 | D | 45.9 | Very low | 45 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 60% | 0.599 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 95.5 | 32 | 178.5 | -51.8 | -21.6 | 0 | 0 | 0 | 119.3 | T64 | D62-T64 PolarHBondContact O-N 3.38Š|
| 63 | C | 47.9 | Very low | 44.7 | Very low | 100 Ų | 100 | 140.1 Ų | 140.1 | 68% | 0.676 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -74.7 | 0.7 | 158.2 | -104.9 | 0 | 0 | 0 | 0 | 114.6 | L60 | L60-C63 HydrophobicContact CD2-CB 4.03Å; L60-C63 WeakPolarHBondContact CD2-SG 3.45Å |
| 64 | T | 46.2 | Very low | 44.4 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 84% | 0.84 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -117.1 | -0.2 | 177.1 | 44.4 | 0 | 0 | 0 | 0 | 115.2 | D62 | D62-T64 PolarHBondContact O-N 3.38Š|
| 65 | E | 43.6 | Very low | 44.6 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | trans | -135.4 | 44.4 | 175.7 | -65 | -169.1 | -173.6 | 0 | 0 | 112.3 | V67 | E65-V67 PolarHBondContact O-N 2.87Š| ||
| 66 | Q | 39 | Very low | 45 | Very low | 169 Ų | 169 | 131.9 Ų | 131.9 | 79% | 0.79 | 72% | 0.715 | S | S | * | * | trans | -75.7 | 81.9 | 155.8 | -77.7 | -173.7 | 28.3 | 0 | 0 | 108.5 | I68 | Q66-I68 PolarHBondContact O-N 2.95Š| ||
| 67 | V | 41.5 | Very low | 45.7 | Very low | 106 Ų | 106 | 134 Ų | 134 | 64% | 0.642 | 71% | 0.71 | S | S | * | * | trans | -42.9 | 110.3 | 155.4 | 175.3 | 0 | 0 | 0 | 0 | 106.8 | E65 S69 | E65-V67 PolarHBondContact O-N 2.87Å; V67-S69 VanDerWaalsContact C-N 3.27Å; V67-S69 PolarHBondContact O-N 3.5Å; V67-S69 PolarHBondContact O-OG 3.42Å | ||
| 68 | I | 42.4 | Very low | 46.9 | Very low | 177 Ų | 177 | 128.4 Ų | 128.4 | 91% | 0.908 | 70% | 0.697 | S | S | * | * | trans | -49.1 | 99.4 | 168.2 | -61.4 | 166.7 | 0 | 0 | 0 | 106 | Q66 | Q66-I68 PolarHBondContact O-N 2.95Š| ||
| 69 | S | 35.9 | Very low | 48.2 | Very low | 88 Ų | 88 | 126.2 Ų | 126.2 | 62% | 0.615 | 68% | 0.682 | S | S | * | * | trans | -135.1 | 116.8 | 179.4 | 37.4 | 0 | 0 | 0 | 0 | 107.1 | V67 | V67-S69 VanDerWaalsContact C-N 3.27Å; V67-S69 PolarHBondContact O-N 3.5Å; V67-S69 PolarHBondContact O-OG 3.42Å | ||
| 70 | K | 41.6 | Very low | 50 | Low | 181 Ų | 181 | 129.3 Ų | 129.3 | 79% | 0.787 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 76.7 | 127.3 | 173.7 | -52.8 | -177.1 | 179.6 | -174.9 | 0 | 114.8 | ||
| 71 | E | 38.4 | Very low | 51.6 | Low | 158 Ų | 158 | 131.5 Ų | 131.5 | 74% | 0.738 | 68% | 0.677 | S | S | * | * | cis | 177.6 | 134.3 | -8.4 | -117.2 | 156.1 | -156.8 | 0 | 0 | 100.5 | ||||
| 72 | T | 48.8 | Very low | 53.2 | Low | 120 Ų | 120 | 129.4 Ų | 129.4 | 74% | 0.736 | 67% | 0.67 | S | S | * | * | trans | 45.7 | 107.5 | 158.7 | 58.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 73 | E | 47.4 | Very low | 54.9 | Low | 172 Ų | 172 | 130.3 Ų | 130.3 | 80% | 0.804 | 67% | 0.671 | S | S | * | * | -166.9 | 137.8 | 91.8 | -89.5 | 158.2 | -170.2 | 0 | 0 | 109 | |||||
| 74 | D | 48.8 | Very low | 56.7 | Low | 100 Ų | 100 | 130.8 Ų | 130.8 | 54% | 0.535 | 67% | 0.666 | S | S | . | * | trans | 79.1 | 36.9 | 151.8 | -60.3 | -9.5 | 0 | 0 | 0 | 120.2 | S76 Y77 | D74-S76 PolarHBondContact O-N 2.89Å; D74-Y77 WeakPolarHBondContact O-CB 3.5Å; D74-Y77 PolarHBondContact O-N 3.33Å; D74-Y77 VanDerWaalsContact O-N 3.08Å | ||
| 75 | T | 55.6 | Low | 58.5 | Low | 120 Ų | 120 | 126.9 Ų | 126.9 | 74% | 0.736 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -60.5 | -26 | 158 | 25.2 | 0 | 0 | 0 | 0 | 112.9 | Y77 S78 | T75-Y77 PolarHBondContact O-N 2.99Å; T75-S78 PolarHBondContact O-N 3.36Å; T75-S78 PolarHBondContact O-OG 2.88Å; T75-S78 VanDerWaalsContact O-OG 3.08Å |
| 76 | S | 55.9 | Low | 60.3 | Low | 76 Ų | 76 | 124.7 Ų | 124.7 | 53% | 0.531 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -66.2 | -27.2 | 172 | 59.1 | 0 | 0 | 0 | 0 | 112.9 | D74 S78 | D74-S76 PolarHBondContact O-N 2.89Å; S76-S78 VanDerWaalsContact C-N 3.28Å; S76-S78 PolarHBondContact O-N 3.12Å |
| 77 | Y | 58 | Low | 62.3 | Low | 151 Ų | 151 | 119.1 Ų | 119.1 | 59% | 0.592 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -74.5 | -20.2 | -177.7 | -158 | -94.4 | 0 | 0 | 0 | 112.5 | D74 T75 | D74-Y77 WeakPolarHBondContact O-CB 3.5Å; D74-Y77 PolarHBondContact O-N 3.33Å; D74-Y77 VanDerWaalsContact O-N 3.08Å; T75-Y77 PolarHBondContact O-N 2.99Å |
| 78 | S | 72 | Confident | 64.3 | Low | 61 Ų | 61 | 120.6 Ų | 120.6 | 43% | 0.427 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -87.8 | -39.2 | 176.8 | 71.8 | 0 | 0 | 0 | 0 | 112.8 | T75 S76 I82 | T75-S78 PolarHBondContact O-N 3.36Å; T75-S78 PolarHBondContact O-OG 2.88Å; T75-S78 VanDerWaalsContact O-OG 3.08Å; S76-S78 VanDerWaalsContact C-N 3.28Å; S76-S78 PolarHBondContact O-N 3.12Å; S78-I82 WeakPolarHBondContact O-CD1 3.38Å; S78-I82 VanDerWaalsContact O-CG1 3.27Å; S78-I82 WeakPolarHBondContact O-CG1 3.45Å; S78-I82 PolarHBondContact O-N 3.28Å |
| 79 | E | 72 | Confident | 66 | Low | 130 Ų | 130 | 119.7 Ų | 119.7 | 61% | 0.607 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.7 | -44.1 | -176.8 | -70.6 | -176.3 | 168.4 | 0 | 0 | 112.4 | R81 I82 E83 | E79-R81 PolarHBondContact O-N 3.34Å; E79-I82 PolarHBondContact O-N 3.22Å; E79-I82 VanDerWaalsContact O-N 3.12Å; E79-E83 PolarHBondContact O-N 3.49Å |
| 80 | Q | 77.9 | Confident | 67.9 | Low | 134 Ų | 134 | 119.6 Ų | 119.6 | 63% | 0.626 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -60.8 | -40.8 | 178.1 | -97.1 | 173.3 | -15.1 | 0 | 0 | 113.1 | I82 E83 D84 | Q80-I82 VanDerWaalsContact C-N 3.29Å; Q80-I82 PolarHBondContact O-N 2.92Å; Q80-E83 PolarHBondContact O-N 3.03Å; Q80-D84 WeakPolarHBondContact O-CB 3.39Å; Q80-D84 VanDerWaalsContact O-CG 3.31Å; Q80-D84 PolarHBondContact O-N 3.04Å |
| 81 | R | 78.6 | Confident | 69.4 | Low | 176 Ų | 176 | 117.9 Ų | 117.9 | 66% | 0.664 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65 | -34.1 | 176.2 | -91.1 | -170.8 | 169.1 | -157.1 | -1.9 | 112.9 | E79 A85 | E79-R81 PolarHBondContact O-N 3.34Å; R81-A85 VanDerWaalsContact O-CB 3.32Å; R81-A85 WeakPolarHBondContact O-CB 3.38Å; R81-A85 PolarHBondContact O-N 2.96Å |
| 82 | I | 80.5 | Confident | 71 | Confident | 98 Ų | 98 | 116 Ų | 116 | 50% | 0.503 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -69.4 | -44.9 | 177.6 | -67 | 164.7 | 0 | 0 | 0 | 109.4 | S78 E79 Q80 A85 I86 | S78-I82 WeakPolarHBondContact O-CD1 3.38Å; S78-I82 VanDerWaalsContact O-CG1 3.27Å; S78-I82 WeakPolarHBondContact O-CG1 3.45Å; S78-I82 PolarHBondContact O-N 3.28Å; E79-I82 PolarHBondContact O-N 3.22Å; E79-I82 VanDerWaalsContact O-N 3.12Å; Q80-I82 VanDerWaalsContact C-N 3.29Å; Q80-I82 PolarHBondContact O-N 2.92Å; I82-A85 PolarHBondContact O-N 3.24Å; I82-I86 HydrophobicContact CG2-CD1 3.86Å; I82-I86 VanDerWaalsContact O-CG1 3.25Å; I82-I86 WeakPolarHBondContact O-CG1 3.41Å; I82-I86 PolarHBondContact O-N 2.9Å |
| 83 | E | 82.1 | Confident | 71.9 | Confident | 132 Ų | 132 | 119.2 Ų | 119.2 | 62% | 0.617 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.5 | -43.7 | 176.4 | -69.9 | -174.3 | 171.1 | 0 | 0 | 112.2 | E79 Q80 A85 I86 A87 | E79-E83 PolarHBondContact O-N 3.49Å; Q80-E83 PolarHBondContact O-N 3.03Å; E83-A85 PolarHBondContact O-N 3.48Å; E83-I86 PolarHBondContact O-N 3.11Å; E83-A87 WeakPolarHBondContact O-CB 3.25Å; E83-A87 PolarHBondContact O-N 3.33Å |
| 84 | D | 84.6 | Confident | 72.7 | Confident | 110 Ų | 110 | 116.5 Ų | 116.5 | 59% | 0.588 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -60.8 | -43.6 | 175.8 | -75.1 | -18.4 | 0 | 0 | 0 | 111.7 | Q80 I86 A87 E88 | Q80-D84 WeakPolarHBondContact O-CB 3.39Å; Q80-D84 VanDerWaalsContact O-CG 3.31Å; Q80-D84 PolarHBondContact O-N 3.04Å; D84-I86 VanDerWaalsContact C-N 3.35Å; D84-I86 PolarHBondContact O-N 3.32Å; D84-A87 PolarHBondContact O-N 3.46Å; D84-E88 WeakPolarHBondContact O-CB 3.34Å; D84-E88 PolarHBondContact O-N 3.37Å |
| 85 | A | 83.5 | Confident | 73.4 | Confident | 55 Ų | 55 | 117.9 Ų | 117.9 | 46% | 0.455 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.9 | -37.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R81 I82 E83 F89 | R81-A85 VanDerWaalsContact O-CB 3.32Å; R81-A85 WeakPolarHBondContact O-CB 3.38Å; R81-A85 PolarHBondContact O-N 2.96Å; I82-A85 PolarHBondContact O-N 3.24Å; E83-A85 PolarHBondContact O-N 3.48Å; A85-F89 WeakPolarHBondContact O-CB 2.74Å; A85-F89 PolarHBondContact O-N 2.86Å |
| 86 | I | 81.6 | Confident | 73.2 | Confident | 104 Ų | 104 | 127.4 Ų | 127.4 | 53% | 0.533 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -67.4 | -41.1 | 175.1 | -68.4 | 165.8 | 0 | 0 | 0 | 110.6 | I82 E83 D84 S90 | I82-I86 HydrophobicContact CG2-CD1 3.86Å; I82-I86 VanDerWaalsContact O-CG1 3.25Å; I82-I86 WeakPolarHBondContact O-CG1 3.41Å; I82-I86 PolarHBondContact O-N 2.9Å; E83-I86 PolarHBondContact O-N 3.11Å; D84-I86 VanDerWaalsContact C-N 3.35Å; D84-I86 PolarHBondContact O-N 3.32Å; I86-S90 WeakPolarHBondContact O-CB 3.42Å; I86-S90 PolarHBondContact O-N 2.69Å; I86-S90 PolarHBondContact O-OG 3.06Å |
| 87 | A | 82.3 | Confident | 74 | Confident | 52 Ų | 52 | 130 Ų | 130 | 43% | 0.43 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -66 | -44.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | E83 D84 F89 S90 L91 | E83-A87 WeakPolarHBondContact O-CB 3.25Å; E83-A87 PolarHBondContact O-N 3.33Å; D84-A87 PolarHBondContact O-N 3.46Å; A87-F89 VanDerWaalsContact C-N 3.35Å; A87-F89 PolarHBondContact O-N 3.02Å; A87-S90 WeakPolarHBondContact O-CB 3.47Å; A87-S90 PolarHBondContact O-N 2.88Å; A87-S90 VanDerWaalsContact O-N 3.16Å; A87-L91 WeakPolarHBondContact O-CG 3.24Å; A87-L91 PolarHBondContact O-N 2.82Å; A87-L91 VanDerWaalsContact O-N 3.13Å |
| 88 | E | 81.6 | Confident | 74.9 | Confident | 138 Ų | 138 | 128.9 Ų | 128.9 | 65% | 0.645 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -60.4 | -44.5 | 176.6 | -171.5 | 179.5 | 177.8 | 0 | 0 | 111.2 | D84 S90 L91 L92 | D84-E88 WeakPolarHBondContact O-CB 3.34Å; D84-E88 PolarHBondContact O-N 3.37Å; E88-S90 VanDerWaalsContact C-N 3.28Å; E88-S90 PolarHBondContact O-N 2.9Å; E88-L91 PolarHBondContact O-N 2.77Å; E88-L91 VanDerWaalsContact O-N 3.11Å; E88-L92 PolarHBondContact O-N 3.03Å |
| 89 | F | 78.7 | Confident | 75 | Confident | 158 Ų | 158 | 132.7 Ų | 132.7 | 69% | 0.693 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -62.9 | -35.8 | 176.4 | -168.9 | -96.8 | 0 | 0 | 0 | 112.5 | A85 A87 L91 L92 | A85-F89 WeakPolarHBondContact O-CB 2.74Å; A85-F89 PolarHBondContact O-N 2.86Å; A87-F89 VanDerWaalsContact C-N 3.35Å; A87-F89 PolarHBondContact O-N 3.02Å; F89-L91 VanDerWaalsContact C-N 3.27Å; F89-L91 PolarHBondContact O-N 2.85Å; F89-L92 HydrophobicContact CD2-CD1 4.19Å; F89-L92 WeakPolarHBondContact O-CB 3.35Å; F89-L92 PolarHBondContact O-N 3.18Å |
| 90 | S | 75.4 | Confident | 75.2 | Confident | 86 Ų | 86 | 132.8 Ų | 132.8 | 60% | 0.601 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -68.1 | -26.8 | 176.5 | -59.3 | 0 | 0 | 0 | 0 | 112.9 | I86 A87 E88 | I86-S90 WeakPolarHBondContact O-CB 3.42Å; I86-S90 PolarHBondContact O-N 2.69Å; I86-S90 PolarHBondContact O-OG 3.06Å; A87-S90 WeakPolarHBondContact O-CB 3.47Å; A87-S90 PolarHBondContact O-N 2.88Å; A87-S90 VanDerWaalsContact O-N 3.16Å; E88-S90 VanDerWaalsContact C-N 3.28Å; E88-S90 PolarHBondContact O-N 2.9Å |
| 91 | L | 74.6 | Confident | 75 | Confident | 145 Ų | 145 | 132.8 Ų | 132.8 | 76% | 0.759 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -81.6 | -17.9 | 176.1 | -68.9 | 175 | 0 | 0 | 0 | 113.4 | A87 E88 F89 K93 | A87-L91 WeakPolarHBondContact O-CG 3.24Å; A87-L91 PolarHBondContact O-N 2.82Å; A87-L91 VanDerWaalsContact O-N 3.13Å; E88-L91 PolarHBondContact O-N 2.77Å; E88-L91 VanDerWaalsContact O-N 3.11Å; F89-L91 VanDerWaalsContact C-N 3.27Å; F89-L91 PolarHBondContact O-N 2.85Å; L91-K93 PolarHBondContact O-N 2.96Å |
| 92 | L | 71.8 | Confident | 74.8 | Confident | 119 Ų | 119 | 129.9 Ų | 129.9 | 62% | 0.623 | 67% | 0.672 | S | S | * | * | trans | -68.7 | 71.7 | 168.9 | -67.8 | 168.9 | 0 | 0 | 0 | 109.6 | E88 F89 C94 | E88-L92 PolarHBondContact O-N 3.03Å; F89-L92 HydrophobicContact CD2-CD1 4.19Å; F89-L92 WeakPolarHBondContact O-CB 3.35Å; F89-L92 PolarHBondContact O-N 3.18Å; L92-C94 PolarHBondContact O-N 3.09Å; L92-C94 VanDerWaalsContact O-N 3.12Å | ||
| 93 | K | 67.4 | Low | 74.4 | Confident | 187 Ų | 187 | 132.1 Ų | 132.1 | 81% | 0.813 | 68% | 0.684 | S | S | * | * | trans | -63.5 | 113.8 | 164.9 | -75.7 | -175.8 | 178.7 | 175.9 | 0 | 107.4 | L91 | L91-K93 PolarHBondContact O-N 2.96Š| ||
| 94 | C | 63.1 | Low | 73.8 | Confident | 115 Ų | 115 | 132.2 Ų | 132.2 | 78% | 0.777 | 69% | 0.689 | S | S | * | * | trans | -50.1 | 130.1 | 168.8 | -68.7 | 0 | 0 | 0 | 0 | 109.2 | L92 R96 | L92-C94 PolarHBondContact O-N 3.09Å; L92-C94 VanDerWaalsContact O-N 3.12Å; C94-R96 PolarHBondContact O-N 3.37Å | ||
| 95 | P | 63.4 | Low | 72.9 | Confident | 129 Ų | 129 | 134 Ų | 134 | 84% | 0.838 | 70% | 0.698 | S | S | * | * | trans | -56.7 | 133.9 | 174.7 | 22.1 | -30.2 | 0 | 0 | 0 | 109.2 | ||||
| 96 | R | 51.4 | Low | 71.9 | Confident | 320 Ų | 320 | 141.2 Ų | 141.2 | 100% | 1.208 | 72% | 0.72 | S | S | * | * | trans | -56.5 | 0 | 177.6 | -81.6 | -174.3 | 169.3 | -175.8 | -2.6 | 112.3 | C94 | C94-R96 PolarHBondContact O-N 3.37Š|
Retrieved 96 of 96 residues in 24 ms
(Link to these results)